Table 1 Crystallographic data and refinement information of 4a
Empirical formula | C25H32N2O6 |
|---|---|
Formula weight | 456.53 |
Temperature (K) | 293 |
Crystal system | Orthorhombic |
Space group | Pbca |
Cu Kα radiation, λ | 1.54178 Å |
a = | 14.6669 (5) Å |
b = | 18.3084 (6) Å |
c = | 19.0294 (6) Å |
α = | 90º |
β = | 90º |
γ = | 90º |
V = | 5109.9 (3) Å3 |
Z = | 8 |
Theta range for data collection | 3.0–69.2° |
μ = | 0.70 mm−1 |
Density clac. (g/cm3) | 1.187 |
Crystal shape and colour | Plate, colourless |
Crystal size | 0.89 × 0.78 × 0.22 mm |
h/k/l | −17,17/-22,22/-22,23 |
Measured reflections | 32924 |
Independent reflections | 4796 (Rint = 0.088) |
Reflections with I > 2σ(I) | 3997 |
Goodness-of-fit on F2 | 1.04 |
R[F2 > 2σ(F2)] = | 0.067 |
wR(F2) = | 0.195 |
Δρmax = | 0.47 e Å−3 |
Δρmin = | −0.40 e Å−3 |